2-(2-oxidanylidenebutyl)henicosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate

Systemtic Name: 2-(2-oxidanylidenebutyl)henicosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate Openeye Name: 2-(2-oxobutyl)henicosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate CAS Name: 2-(2-oxobutyl)heneicosyl 2-(1-pyrrolidin-1-iumyl)ethyl hydrogen phosphate IUPAC Name: 2-(2-oxobutyl)henicosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate Traditional Name: 2-(2-ketobutyl)heneicosyl 2-pyrrolidin-1-ium-1-ylethyl hydrogen phosphate Formula: C31H63NO5P+ MolecularWeight: 560.809381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(O)OCC[NH+]1CCCC1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(O)OCC[NH+]1CCCC1

InChI

InChI=1S/C31H62NO5P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30(28-31(33)4-2)29-37-38(34,35)36-27-26-32-24-21-22-25-32/h30H,3-29H2,1-2H3,(H,34,35)/p+1